Calcium in PDB 4yx6: Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases

The structure of Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases, PDB code: 4yx6 was solved by M.Till, P.R.Race, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.41 / 1.86
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.570, 105.570, 214.550, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.9

The binding sites of Calcium atom in the Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases (pdb code 4yx6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases, PDB code: 4yx6:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:20.3 occ:1.00 O A:HIS277 2.6 9.0 1.0 OE2 A:GLU271 2.7 13.1 1.0 O A:GLY275 2.7 8.0 1.0 OG A:SER274 2.9 11.7 1.0 O A:HOH881 3.2 13.1 1.0 CD A:GLU271 3.5 17.8 1.0 C A:HIS277 3.6 9.2 1.0 OE1 A:GLU271 3.7 18.2 1.0 C1' A:FMN601 3.7 8.2 1.0 N A:HIS277 3.9 7.7 1.0 C A:GLY275 3.9 7.3 1.0 CB A:SER274 3.9 9.8 1.0 C A:GLY276 4.1 7.9 1.0 O A:HOH770 4.2 14.0 1.0 CA A:HIS277 4.3 8.8 1.0 N10 A:FMN601 4.4 7.9 1.0 O A:HOH769 4.4 33.9 1.0 CA A:GLY276 4.4 6.5 1.0 C4' A:FMN601 4.6 6.7 1.0 C A:SER274 4.6 6.8 1.0 N A:GLY276 4.6 6.5 1.0 O A:GLY276 4.7 7.9 1.0 N A:THR278 4.7 9.0 1.0 CB A:THR278 4.7 9.4 1.0 N A:GLY275 4.7 6.5 1.0 CG A:GLU271 4.7 10.9 1.0 O A:SER274 4.8 6.9 1.0 CB A:HIS277 4.9 12.1 1.0 O4' A:FMN601 4.9 7.5 1.0 CA A:THR278 4.9 10.6 1.0 CA A:SER274 4.9 7.5 1.0 O3' A:FMN601 4.9 6.8 1.0 C10 A:FMN601 4.9 9.2 1.0 CA A:GLY275 5.0 6.7 1.0 C9A A:FMN601 5.0 8.9 1.0

Calcium binding site 2 out of 2 in the Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:15.9 occ:1.00 O B:HIS277 2.7 8.6 1.0 OE2 B:GLU271 2.8 8.5 1.0 O B:GLY275 2.8 8.0 1.0 OG B:SER274 2.9 9.6 1.0 OE1 B:GLU271 3.1 14.6 1.0 CD B:GLU271 3.2 11.4 1.0 O B:HOH874 3.2 15.1 1.0 C B:HIS277 3.6 9.6 1.0 C1' B:FMN601 3.7 7.7 1.0 N B:HIS277 3.8 9.0 1.0 CB B:SER274 3.8 7.4 1.0 C B:GLY275 3.9 7.7 1.0 C B:GLY276 4.0 9.6 1.0 CA B:HIS277 4.2 10.2 1.0 CA B:GLY276 4.3 8.8 1.0 N10 B:FMN601 4.4 8.8 1.0 O B:HOH817 4.4 14.9 1.0 CG B:GLU271 4.5 8.7 1.0 N B:GLY276 4.6 8.3 1.0 C4' B:FMN601 4.6 7.0 1.0 O B:GLY276 4.6 9.7 1.0 C B:SER274 4.6 7.2 1.0 CB B:THR278 4.6 7.0 1.0 N B:THR278 4.7 8.4 1.0 N B:GLY275 4.7 6.3 1.0 O B:SER274 4.7 7.1 1.0 CB B:HIS277 4.8 13.2 1.0 O3' B:FMN601 4.8 7.4 1.0 CA B:SER274 4.8 7.3 1.0 CA B:THR278 4.9 8.2 1.0 O4' B:FMN601 4.9 7.6 1.0 C10 B:FMN601 5.0 9.1 1.0 C2' B:FMN601 5.0 7.5 1.0 CA B:GLY275 5.0 7.1 1.0 N1 B:FMN601 5.0 10.7 1.0

M.Till, P.R.Race. Architectural Hierarchy of Trans-Acting Enoyl Reductases From Polyunsaturated Fatty Acid and Trans-at Polyketide Synthases To Be Published.